3-[(4-methylphenyl)methylsulfanyl]-6-pyridin-4-ylpyridazine

C17H15N3S — CID 7222426

IUPAC3-[(4-methylphenyl)methylsulfanyl]-6-pyridin-4-ylpyridazine
SMILESCc1ccc(CSc2ccc(-c3ccncc3)nn2)cc1
InChIInChI=1S/C17H15N3S/c1-13-2-4-14(5-3-13)12-21-17-7-6-16(19-20-17)15-8-10-18-11-9-15/h2-11H,12H2,1H3
InChIKeyINXYCVLDDUIOLC-UHFFFAOYSA-N
MW293.39 g/mol
LogP4.14
Rot. Bonds4

About 3-[(4-methylphenyl)methylsulfanyl]-6-pyridin-4-ylpyridazine

3-[(4-methylphenyl)methylsulfanyl]-6-pyridin-4-ylpyridazine (PubChem CID 7222426) has the molecular formula C17H15N3S and a molecular weight of 293.39 g/mol. Its IUPAC name is 3-[(4-methylphenyl)methylsulfanyl]-6-pyridin-4-ylpyridazine.

Molecular Properties

Compound Name3-[(4-methylphenyl)methylsulfanyl]-6-pyridin-4-ylpyridazine
PubChem CID7222426
Molecular FormulaC17H15N3S
Molecular Weight293.39 g/mol
Exact Mass293.10
IUPAC Name3-[(4-methylphenyl)methylsulfanyl]-6-pyridin-4-ylpyridazine
SMILESCc1ccc(CSc2ccc(-c3ccncc3)nn2)cc1
InChIInChI=1S/C17H15N3S/c1-13-2-4-14(5-3-13)12-21-17-7-6-16(19-20-17)15-8-10-18-11-9-15/h2-11H,12H2,1H3
InChIKeyINXYCVLDDUIOLC-UHFFFAOYSA-N
XLogP4.14
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-methylphenyl)methylsulfanyl]-6-pyridin-4-ylpyridazine?
The IUPAC name of 3-[(4-methylphenyl)methylsulfanyl]-6-pyridin-4-ylpyridazine (CID 7222426) is 3-[(4-methylphenyl)methylsulfanyl]-6-pyridin-4-ylpyridazine.
What is the SMILES notation for 3-[(4-methylphenyl)methylsulfanyl]-6-pyridin-4-ylpyridazine?
The canonical SMILES for 3-[(4-methylphenyl)methylsulfanyl]-6-pyridin-4-ylpyridazine is Cc1ccc(CSc2ccc(-c3ccncc3)nn2)cc1.
What is the InChIKey of 3-[(4-methylphenyl)methylsulfanyl]-6-pyridin-4-ylpyridazine?
The InChIKey is INXYCVLDDUIOLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3S/c1-13-2-4-14(5-3-13)12-21-17-7-6-16(19-20-17)15-8-10-18-11-9-15/h2-11H,12H2,1H3.
What are the key properties of 3-[(4-methylphenyl)methylsulfanyl]-6-pyridin-4-ylpyridazine?
3-[(4-methylphenyl)methylsulfanyl]-6-pyridin-4-ylpyridazine has a molecular weight of 293.39 g/mol, XLogP of 4.14, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methylphenyl)methylsulfanyl]-6-pyridin-4-ylpyridazine is sourced from PubChem (CID 7222426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).